4-(4-Bromophenyl)-1-(2,6-difluorobenzyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2, 4-triazole-5(4H)-thione
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Date
2012
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Abstract
In the title compound, C <inf>24</inf>H <inf>20</inf>BrF <inf>2</inf>N <inf>3</inf>O <inf>3</inf>S, the triazole ring (r.m.s. deviation = 0.0107 Å) makes dihedral angles of 28.18(14), 63.76(14) and 77.01(18)°, respectively, with the trimethoxy-, bromo-, and difluoro-substituted benzene rings. The C atoms of the meta methoxy groups are roughly coplanar with their ring [displacements =-0.289(4) and 0.083(7) Å], whereas the C atom of the para group is displaced [1.117(3) Å]. In the crystal, inversion dimers linked by two pairs of C-H··· O hydrogen bonds occur. The ring motif of the two hydrogen bonds to their symmetry-generated O-atom acceptors is R 2 <inf>2</inf>(8).
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Data-to-parameter ratio = 22.7, Mean ?(C-C) = 0.005 Å, R factor = 0.048, Single-crystal X-ray study, T = 296 K, wR factor = 0.158
Citation
Acta Crystallographica Section E: Structure Reports Online, 2012, 68, 1, pp. o89-
